BDBM50348508 CHEMBL1801302

SMILES: COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CC3)-c2n1

InChI Key: InChIKey=VNTJTSKIEIMYPD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50348508   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348508 (CHEMBL1801302) Show SMILES COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CC3)-c2n1 Show InChI InChI=1S/C22H20N4O2/c1-28-14-5-2-12(3-6-14)20-23-10-13-4-7-15-16-19(25-18(15)17(13)26-20)22(8-9-22)11-24-21(16)27/h2-3,5-6,10,25H,4,7-9,11H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348508 (CHEMBL1801302) Show SMILES COc1ccc(cc1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CC3)-c2n1 Show InChI InChI=1S/C22H20N4O2/c1-28-14-5-2-12(3-6-14)20-23-10-13-4-7-15-16-19(25-18(15)17(13)26-20)22(8-9-22)11-24-21(16)27/h2-3,5-6,10,25H,4,7-9,11H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					More data for this Ligand-Target Pair